N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide

C13H19NO3 — CID 79027770

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N[C@H](C)CO
InChIInChI=1S/C13H19NO3/c1-10-5-3-4-6-12(10)17-8-7-13(16)14-11(2)9-15/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyZBEHTGCPZCHTDK-LLVKDONJSA-N
MW237.30 g/mol
LogP1.26
Rot. Bonds6

About N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide

N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide (PubChem CID 79027770) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
PubChem CID79027770
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
SMILESCc1ccccc1OCCC(=O)N[C@H](C)CO
InChIInChI=1S/C13H19NO3/c1-10-5-3-4-6-12(10)17-8-7-13(16)14-11(2)9-15/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyZBEHTGCPZCHTDK-LLVKDONJSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9218369
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(2-methylphenoxy)butanamide
CID 103798851
4-methoxy-2-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 62478591
3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9366932

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide (CID 79027770) is N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide is Cc1ccccc1OCCC(=O)N[C@H](C)CO.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide?
The InChIKey is ZBEHTGCPZCHTDK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-5-3-4-6-12(10)17-8-7-13(16)14-11(2)9-15/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 79027770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).